(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride

C20H34ClN — CID 74935063

IUPAC(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride
SMILESCC(C)C1=CC2=CCC3C(C)(CN)CCCC3(C)C2CC1.Cl
InChIInChI=1S/C20H33N.ClH/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;/h7,12,14,17-18H,5-6,8-11,13,21H2,1-4H3;1H
InChIKeyOJUHULAZBDRHEO-UHFFFAOYSA-N
MW323.95 g/mol
LogP5.50
Rot. Bonds2

About (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride

(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride (PubChem CID 74935063) has the molecular formula C20H34ClN and a molecular weight of 323.95 g/mol. Its IUPAC name is (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride
PubChem CID74935063
Molecular FormulaC20H34ClN
Molecular Weight323.95 g/mol
Exact Mass323.24
IUPAC Name(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride
SMILESCC(C)C1=CC2=CCC3C(C)(CN)CCCC3(C)C2CC1.Cl
InChIInChI=1S/C20H33N.ClH/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;/h7,12,14,17-18H,5-6,8-11,13,21H2,1-4H3;1H
InChIKeyOJUHULAZBDRHEO-UHFFFAOYSA-N
XLogP5.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.95
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride?
The IUPAC name of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride (CID 74935063) is (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride?
The canonical SMILES for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride is CC(C)C1=CC2=CCC3C(C)(CN)CCCC3(C)C2CC1.Cl.
What is the InChIKey of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride?
The InChIKey is OJUHULAZBDRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N.ClH/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;/h7,12,14,17-18H,5-6,8-11,13,21H2,1-4H3;1H.
What are the key properties of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride?
(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride has a molecular weight of 323.95 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 74935063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).